8H-cyclohepta[b]naphthalen-3-amine

C15H13N — CID 163524099

IUPAC8H-cyclohepta[b]naphthalen-3-amine
SMILESNc1ccc2cc3c(cc2c1)C=CCC=C3
InChIInChI=1S/C15H13N/c16-15-7-6-13-8-11-4-2-1-3-5-12(11)9-14(13)10-15/h2-10H,1,16H2
InChIKeyDNGGAVRQEOOADU-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.85
Rot. Bonds

About 8H-cyclohepta[b]naphthalen-3-amine

8H-cyclohepta[b]naphthalen-3-amine (PubChem CID 163524099) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 8H-cyclohepta[b]naphthalen-3-amine.

Molecular Properties

Compound Name8H-cyclohepta[b]naphthalen-3-amine
PubChem CID163524099
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name8H-cyclohepta[b]naphthalen-3-amine
SMILESNc1ccc2cc3c(cc2c1)C=CCC=C3
InChIInChI=1S/C15H13N/c16-15-7-6-13-8-11-4-2-1-3-5-12(11)9-14(13)10-15/h2-10H,1,16H2
InChIKeyDNGGAVRQEOOADU-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[b]naphthalen-3-amine?
The IUPAC name of 8H-cyclohepta[b]naphthalen-3-amine (CID 163524099) is 8H-cyclohepta[b]naphthalen-3-amine.
What is the SMILES notation for 8H-cyclohepta[b]naphthalen-3-amine?
The canonical SMILES for 8H-cyclohepta[b]naphthalen-3-amine is Nc1ccc2cc3c(cc2c1)C=CCC=C3.
What is the InChIKey of 8H-cyclohepta[b]naphthalen-3-amine?
The InChIKey is DNGGAVRQEOOADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c16-15-7-6-13-8-11-4-2-1-3-5-12(11)9-14(13)10-15/h2-10H,1,16H2.
What are the key properties of 8H-cyclohepta[b]naphthalen-3-amine?
8H-cyclohepta[b]naphthalen-3-amine has a molecular weight of 207.28 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[b]naphthalen-3-amine is sourced from PubChem (CID 163524099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).